Lot numbers can be found on the outside label of a product:
2-Chloro-5-methyl-1,3-benzoxazole
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CAS No. 3770-60-3
- Cat. No. CS-0217555
- Purity≥98%
- MDL No.None
*For research and further manufacturing use only, not for direct human use.
Structure of 3770-60-3
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General Information
- CAS No. 3770-60-3
- Cat. No. CS-0217555
- Purity ≥98%
- MDL No. None
- Storage -20°C
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₆ClNO
- Molecular Weight 167.59
- Synonym(s) 2-Chloro-5-Methylbenzo[d]oxazole
- SMILES CC1=CC2=C(C=C1)OC(=N2)Cl
Description
2-Chloro-5-methyl-1,3-benzoxazole is a heterocyclic scaffold featuring a chlorinated benzene ring fused to an oxazole with a methyl substituent. This electron-deficient system enables direct functionalization in cross-coupling reactions and serves as a stable building block in medicinal chemistry and agrochemical synthesis under standard conditions.
Application
2-Chloro-5-methyl-1,3-benzoxazole serves as a versatile heterocyclic building block in medicinal chemistry and materials science. Its electrophilic chlorine at the 2-position enables palladium-catalyzed cross-coupling reactions, while the methyl group provides a site for further functionalization. The benzoxazole core offers metabolic stability and favorable physicochemical properties, making it valuable in the synthesis of bioactive compounds and advanced organic materials.
Synthesis
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Route1
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In-stock
![5-Methylbenzo[d]oxazole-2(3H)-thione|CS-W013240](https://file.chemscene.com/productPIC/CS-W013240.gif)
22876-22-8 - ~57%
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In-stock
3770-60-3
References
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GALLEON PHARMACEUTICALS, INC. Patent: US2011/224269 A1, 2011 ; Location in patent: Page/Page column 21 ;
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Route2
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In-stock
95-84-1 - ~%
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In-stock
3770-60-3
References
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Yamazaki, Yukiyoshi; Abe, Kazutoyo; Toma, Tsutomu; Nishikawa, Masahiro; Ozawa, Hidefumi; Okuda, Ayumu; Araki, Takaaki; Oda, Soichi; Inoue, Keisuke; Shibuya, Kimiyuki; Staels, Bart; Fruchart, Jean-Charles Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 16 p. 4689 - 4693
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Route3
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119-33-5 - ~%
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In-stock
3770-60-3
References
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Yoshida, Satoshi; Watanabe, Takashi; Sato, Yasuo Bioorganic and Medicinal Chemistry, 2007 , vol. 15, # 10 p. 3515 - 3523
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H302-H315-H319-H335
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Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501
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Quality Control
Computational Chemistry Data
- TPSA 26.03
- LogP 2.78962
- H_Acceptors 2
- H_Donors 0
- Rotatable_Bonds 0
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Key Words
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